Abstract: The interaction between peptides and Major Histocompatibility Complex Class I (MHC-I) molecules plays a critical role in adaptive immune recognition. Although computational prediction ...
An illustration of the density of a water molecule network (blue surface map and red spheres) near the catalytic site (green sticks), projected on the surface of a plant exo-hydrolase, coloured by ...
According to mathematical legend, Peter Sarnak and Noga Alon made a bet about optimal graphs in the late 1980s. They’ve now both been proved wrong. It started with a bet. In the late 1980s, at a ...
Splitting water molecules takes more energy than calculations suggest, and is a key roadblock to cheap hydrogen fuel production. Now, scientists have discovered why. When you purchase through links on ...
Classic Graph Convolutional Networks (GCNs) often learn node representation holistically, which would ignore the distinct impacts from different neighbors when aggregating their features to update a ...
Abstract: Nowadays, the drug discovery field of molecules in protein-ligand interactions developing effective therapeutics for identifying potential drug candidates with spatial features to predict ...
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